6MBY
Carbonic Anhydrase II in complex with Ferulic Acid
Summary for 6MBY
| Entry DOI | 10.2210/pdb6mby/pdb |
| Descriptor | Carbonic anhydrase 2, ZINC ION, 3-(4-HYDROXY-3-METHOXYPHENYL)-2-PROPENOIC ACID, ... (6 entities in total) |
| Functional Keywords | carbonic anhydrase ii, carboxylic acid, ferulic acid, lyase |
| Biological source | Homo sapiens (Human) |
| Total number of polymer chains | 1 |
| Total formula weight | 29362.46 |
| Authors | Lomelino, C.L.,McKenna, R. (deposition date: 2018-08-30, release date: 2019-03-13, Last modification date: 2023-10-11) |
| Primary citation | Lomelino, C.L.,McKenna, R. Carbonic anhydrase II in complex with carboxylic acid-based inhibitors. Acta Crystallogr F Struct Biol Commun, 75:166-170, 2019 Cited by PubMed Abstract: Carbonic anhydrases (CAs) are molecular targets in various diseases. While many sulfonamide-based drugs are in clinical use, CA inhibitor design is moving towards the incorporation of alternative zinc-binding groups, such as carboxylic acids, to promote CA isoform-specific inhibition. Here, X-ray crystal structures of CA II in complex with nicotinic acid and ferulic acid determined to 1.70 and 1.50 Å resolution, respectively, are reported. Furthermore, the structures of these two compounds are superimposed with previously determined structures to compare the mechanisms of inhibition and the properties of carboxylic acid-based CA inhibitors. This study examines an important class of alternative, non-sulfonamide-based CA inhibitors and provides insight to facilitate the structure-guided design of CA isoform-specific inhibitors. PubMed: 30839290DOI: 10.1107/S2053230X18018344 PDB entries with the same primary citation |
| Experimental method | X-RAY DIFFRACTION (1.496 Å) |
Structure validation
Download full validation report
